[gmx-users] diherdal psi vs angle teta plot

Justin Lemkul jalemkul at vt.edu
Wed Jun 5 20:15:22 CEST 2013



On 6/5/13 2:13 PM, Steven Neumann wrote:
> Dear Gmx Users,
>
> I wish to obtain the 2D scatter plot in which I will have my protein
> Ca-Ca-Ca tetta angle and the psi angle N(i)-CA(i)-C(k)-N(i+1) of the
> central residue?
>
> Would you please help?
>

Use g_angle to extract whatever quantities you want, then use your favorite 
scripting language (awk works nicely) to extract the columns and plot them 
against one another.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



More information about the gromacs.org_gmx-users mailing list